============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 22 rings ring int. center anis. iso. PHE 10 1.000 64.439 5.640 36.221 -99.200 -91.000 PHE 14 1.000 67.134 5.068 32.340 -99.200 -91.000 TRP 18 1.040 63.430 18.274 31.500 -99.200 -91.000 TRP6 18 1.020 65.146 17.992 29.900 -99.200 -91.000 PHE 42 1.000 50.882 10.395 26.392 -99.200 -91.000 TYR 47 0.840 58.514 -1.614 24.093 -99.200 -91.000 PHE 53 1.000 70.584 -8.356 27.223 -99.200 -91.000 PHE 54 1.000 66.327 -8.479 20.523 -99.200 -91.000 TYR 80 0.840 60.916 16.785 27.068 -99.200 -91.000 PHE 85 1.000 63.316 -0.236 33.845 -99.200 -91.000 PHE 131 1.000 56.497 -9.273 31.774 -99.200 -91.000 HIS 145 0.900 48.266 19.157 8.883 -99.200 -91.000 TRP 146 1.040 53.516 13.040 6.800 -99.200 -91.000 TRP6 146 1.020 55.625 12.692 7.809 -99.200 -91.000 HIS 166 0.900 62.291 -7.923 16.898 -99.200 -91.000 HIS 219 0.900 44.641 -6.734 5.804 -99.200 -91.000 PHE 221 1.000 49.198 3.020 5.644 -99.200 -91.000 PHE 256 1.000 58.177 -14.223 9.650 -99.200 -91.000 HIS 279 0.900 66.591 3.619 -2.442 -99.200 -91.000 HIS 281 0.900 69.733 7.817 8.065 -99.200 -91.000 TYR 305 0.840 51.430 -17.804 -13.937 -99.200 -91.000 HIS 315 0.900 41.816 -16.570 12.341 -99.200 -91.000